5FH2

The structure of rat cytosolic PEPCK variant E89Q in complex with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-04
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	44.717, 118.797, 60.528
Unit cell angles	90.00, 109.53, 90.00

Refinement procedure

Resolution	59.400 - 1.490
R-factor	0.1484
Rwork	0.147
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qey
RMSD bond length	0.012
RMSD bond angle	1.638
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.530
High resolution limit [Å]	1.490	4.070	1.490
Rmerge	0.080	0.054	0.307
Total number of observations	643595
Number of reflections	92558
<I/σ(I)>	21.3
Completeness [%]	96.4	96.7	71.8
Redundancy	7	7.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	25% PEG 3350, 0.1M HEPES PH 7.4, 8MM MNCL2, 10mM GTP